(R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one

C65H97N11O5S — CID 157442062

IUPAC(R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)CCN2CCCCC2)nc1.Cc1ccc(C(=O)N2CCCCC2)nc1.Cc1ccc(C(=O)O)nc1.Cc1ccc(C(CCN2CCCCC2)N[S@](=O)C(C)(C)C)nc1.Cc1ccc(C(N)CCN2CCCCC2)nc1
InChIInChI=1S/C18H31N3OS.C14H23N3.C14H20N2O.C12H16N2O.C7H7NO2/c1-15-8-9-16(19-14-15)17(20-23(22)18(2,3)4)10-13-21-11-6-5-7-12-21;1-12-5-6-14(16-11-12)13(15)7-10-17-8-3-2-4-9-17;1-12-5-6-13(15-11-12)14(17)7-10-16-8-3-2-4-9-16;1-10-5-6-11(13-9-10)12(15)14-7-3-2-4-8-14;1-5-2-3-6(7(9)10)8-4-5/h8-9,14,17,20H,5-7,10-13H2,1-4H3;5-6,11,13H,2-4,7-10,15H2,1H3;5-6,11H,2-4,7-10H2,1H3;5-6,9H,2-4,7-8H2,1H3;2-4H,1H3,(H,9,10)/t17?,23-;;;;/m1..../s1
InChIKeyBRUAHTZGMYLJMM-KPUBQMBLSA-N
MW1144.63 g/mol
LogP11.18
Rot. Bonds16

About (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one

(R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one (PubChem CID 157442062) has the molecular formula C65H97N11O5S and a molecular weight of 1144.63 g/mol. Its IUPAC name is (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one
PubChem CID157442062
Molecular FormulaC65H97N11O5S
Molecular Weight1144.63 g/mol
Exact Mass1143.74
IUPAC Name(R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)CCN2CCCCC2)nc1.Cc1ccc(C(=O)N2CCCCC2)nc1.Cc1ccc(C(=O)O)nc1.Cc1ccc(C(CCN2CCCCC2)N[S@](=O)C(C)(C)C)nc1.Cc1ccc(C(N)CCN2CCCCC2)nc1
InChIInChI=1S/C18H31N3OS.C14H23N3.C14H20N2O.C12H16N2O.C7H7NO2/c1-15-8-9-16(19-14-15)17(20-23(22)18(2,3)4)10-13-21-11-6-5-7-12-21;1-12-5-6-14(16-11-12)13(15)7-10-17-8-3-2-4-9-17;1-12-5-6-13(15-11-12)14(17)7-10-16-8-3-2-4-9-16;1-10-5-6-11(13-9-10)12(15)14-7-3-2-4-8-14;1-5-2-3-6(7(9)10)8-4-5/h8-9,14,17,20H,5-7,10-13H2,1-4H3;5-6,11,13H,2-4,7-10,15H2,1H3;5-6,11H,2-4,7-10H2,1H3;5-6,9H,2-4,7-8H2,1H3;2-4H,1H3,(H,9,10)/t17?,23-;;;;/m1..../s1
InChIKeyBRUAHTZGMYLJMM-KPUBQMBLSA-N
XLogP11.18
TPSA203.97 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001144.63
LogP ≤ 511.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid
CID 159323720
Tris(4-(6-amino-3-pyridinyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);samarium
CID 139213301
Tris(4-(6-amino-3-pyridinyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);europium
CID 139213316
Tris(4-(6-amino-3-pyridinyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);terbium
CID 139213331
Tris(4-(6-amino-3-pyridinyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium
CID 139213346
5-[(Z)-3-[4-(4-benzhydrylpiperazin-1-yl)butylamino]-3-oxoprop-1-enyl]pyridine-2-carboxylic acid
CID 67893648
5-[3-[4-(4-Benzhydrylpiperazin-1-yl)butylamino]-3-oxoprop-1-enyl]pyridine-2-carboxylic acid
CID 67893649
6-[6-[[Bis[[6-(6-carboxy-2-pyridinyl)-3-pyridinyl]methyl]amino]methyl]-3-pyridinyl]pyridine-2-carboxylic acid
CID 146553795
6-[[Bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;tert-butyl 4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 157373503
(S)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine;N-[(S)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]pyridine-2-carboxamide;methane;pyridine-2-carboxylic acid;sulfane;triiodovanadium
CID 157407233
N-(2-aminoethyl)-4-methylpyridine-2-carboxamide;N-(6-aminohexyl)-4-methylpyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-4-methylpyridine-2-carboxamide;N,4-dimethylpyridine-2-carboxamide;N-(2-methoxyethyl)-4-methylpyridine-2-carboxamide;4-methyl-N-[2-(methylamino)ethyl]pyridine-2-carboxamide;2-[(4-methylpyridine-2-carbonyl)amino]acetic acid;4-methylpyridine-2-carboxamide;4-methylpyridine-2-carboxylic acid
CID 157625500
(3-methoxyazetidin-1-yl)-(5-methyl-2-pyridinyl)methanone;3-(3-methoxyazetidin-1-yl)-1-(5-methyl-2-pyridinyl)propan-1-amine;3-(3-methoxyazetidin-1-yl)-1-(5-methyl-2-pyridinyl)propan-1-one;(R)-N-[3-(3-methoxyazetidin-1-yl)-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;5-methylpyridine-2-carboxylic acid
CID 157791681

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one (CID 157442062) is (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one is Cc1ccc(C(=O)CCN2CCCCC2)nc1.Cc1ccc(C(=O)N2CCCCC2)nc1.Cc1ccc(C(=O)O)nc1.Cc1ccc(C(CCN2CCCCC2)N[S@](=O)C(C)(C)C)nc1.Cc1ccc(C(N)CCN2CCCCC2)nc1.
What is the InChIKey of (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is BRUAHTZGMYLJMM-KPUBQMBLSA-N. The full InChI is InChI=1S/C18H31N3OS.C14H23N3.C14H20N2O.C12H16N2O.C7H7NO2/c1-15-8-9-16(19-14-15)17(20-23(22)18(2,3)4)10-13-21-11-6-5-7-12-21;1-12-5-6-14(16-11-12)13(15)7-10-17-8-3-2-4-9-17;1-12-5-6-13(15-11-12)14(17)7-10-16-8-3-2-4-9-16;1-10-5-6-11(13-9-10)12(15)14-7-3-2-4-8-14;1-5-2-3-6(7(9)10)8-4-5/h8-9,14,17,20H,5-7,10-13H2,1-4H3;5-6,11,13H,2-4,7-10,15H2,1H3;5-6,11H,2-4,7-10H2,1H3;5-6,9H,2-4,7-8H2,1H3;2-4H,1H3,(H,9,10)/t17?,23-;;;;/m1..../s1.
What are the key properties of (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one?
(R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 1144.63 g/mol, XLogP of 11.18, 16 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 157442062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).